4165-56-4

Basic information

• Product Name: 1,4-DIBROMOBENZENE-D4
• Synonyms: 1,4-DIBROMOBENZENE-D4, 98 ATOM % D;1,4-Dibromobenzene-D4;1,4-DibromobenzeneD4labled;p-Dibromobenzene-d4;1,4-DIBROMOBENZENE (D4, 98%);1,4-Dibromo(2,3,5,6-2H4)benzene;1,4-Dibromobenzene-D4 99.0 Atom % D;1,4-DibroMobenzene-d4, 99 atoM%D
• CAS NO: 4165-56-4
• Molecular Formula: C₆H₄Br₂
• Molecular Weight: 239.93
• Product Categories: Alphabetical Listings;D;Stable Isotopes
• Mol File: 4165-56-4.mol
• Article Data: 5

Chemical Properties

• Melting Point: 88-90 °C(lit.)
• Boiling Point: 219 °C
• Flash Point: 100℃
• Appearance: /
• Density: 1.872 g/mL at 25 °C
• Vapor Pressure: 0.191mmHg at 25°C
• Refractive Index: 1.599
• CAS DataBase Reference: 1,4-DIBROMOBENZENE-D4(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4-DIBROMOBENZENE-D4(4165-56-4)
• EPA Substance Registry System: 1,4-DIBROMOBENZENE-D4(4165-56-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36
• RIDADR: UN 3077 9 / PGIII
• WGK Germany: 3
• Hazardous Substances Data: 4165-56-4(Hazardous Substances Data)

Usage

Chemical Properties

White powder

InChI:InChI=1/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H/i1D,2D,3D,4D

Upstream product

• 1076-43-3 benzene-d6 
• 106-37-6 1.4-dibromobenzene 

Downstream Products

• 64646-03-3 3-bromo-1,2,4,5-tetradeuterio-benzene 
• 80523-79-1 4,4'-dibromobiphenyl-d8 
• 93951-83-8 C₁₂⁽²⁾H₉BrO 
• 1556645-99-8 1,4-bis(3-(3-hydroxyphenyl)-3,3-diphenylpropynyl)benzene-d₄ 
• 1556645-93-2 C₆₂H₄₀⁽²⁾H₄N₂O₂ 

Relevant articles and documents

Vibrational spectra and normal coordinate analysis of p-bis(dimethyl-hydroxy-silil)benzene-d0 and -d4

The i.r. and Raman spectra of p-bis(dimethyl-hydroxy-silil)tetradeuterobenzene have been obtained and compared with data of the corresponding normal compound.Complete normal mode calculations of both -d0 and -d4 derivatives have been carried out using a set of valence force constants transferred from suitable molecules and refined to account for the observed i.r. and Raman data.Results of a model calculation, in which substituents are considered as point masses, are also discussed in order to provide a convenient starting point to study the chain conformation of a polymer obtained through polycondensation of the investigated molecule.

Synthesis of Multideuterated (Hetero)aryl Bromides by Ag(I)-Catalyzed H/D Exchange

Deterium-labeled (hetero)aryl bromide is one of the most widespread applicable motifs to achieve important deuterated architectures for various scientific applications. Traditionally, these deterium-labeled (hetero)aryl bromides are commonly prepared via multistep syntheses. Herein, we disclose a direct H/D exchange protocol for deuteration of (hetero)aryl bromides using Ag2CO3 as catalyst and D2O as deuterium source. This protocol is highly efficient, simply manipulated, and appliable for deuterium-labeling of over 55 (hetero)aryl bromides including bioactive druglike molecules and key intermediates of functional materials. In addition, this method showed distinguishing site-selectivity toward the existing transition-metal-catalyzed HIE process, leading to multideuterated (hetero)aryl bromides in one step.

Deuterated Tauvid contrast agent

The invention discloses a deuterated Tauvid contrast agent, the chemical structural general formula of the deuterated Tauvid contrast agent is shown in the specification, R1-R9 are respectively and independently H or D, and at least one hydrogen atom in R